High pressure monoclinic phases of Sb2Te3

First-principles study of structural, elastic, electronic and thermodynamic properties of topological insulator Sb2Te3 under pressure

“…Our calculated lattice parameters are listed in Table 1, together with other theoretical data and experimental data. Our results are well consistent with the experimental data [8,15,17] with the errors less than 1.0%. Other theoretical results (see Table 1) are a bit worse than ours and their errors are a little more serious than ours.…”

“…Other theoretical results (see Table 1) are a bit worse than ours and their errors are a little more serious than ours. The obtained bulk modulus B 0 is about 55 GPa and somewhat a few bigger than the experimental results, 30.2 GPa [15] and 36.1 GPa [17].…”

“…Gomis et al [16] found that Sb 2 Te 3 underwent a phase transition from rhombohedral phase to monoclinic phase around 7.7 GPa through an experiment and a theoretical lattice dynamics study. Recently, Souza et al [17] that Sb 2 Te 3 started a monoclinic phase transition at 9.8 GPa by using XRD experiments.…”

Exchange interaction and its tuning in magnetic binary chalcogenides

“…The electronic structure calculations were performed using a self-consistent full-charge-density Green's function method [38][39][40] in both fully relativistic and scalar-relativistic schemes for the experimental lattice parameters and atomic coordinates [41][42][43]. We used 24 Gaussian quadrature points to carry out a complex energy contour integration, while for the integration over the Brillouin zone we used a mesh of 20 × 20 × 10 k points.…”

Sb–Te alloy nanostructures produced on a graphite surface by a simple annealing process

“…Fabrication and characterization of chalcogenide nanostructures have been reported by several groups. The shape, crystal structure, I-V characteristics, and chemical composition were investigated for chalcogenide nanostructures with several hundreds of nanometers in diameter obtained by catalyst assisted growth [19,20,22], electrochemical deposition [23,24], or ball milling [21]. However, the diameters of these structures were too large to investigate size effects.…”